LAMMPS (13 Apr 2017)
  using 1 OpenMP thread(s) per MPI task
# Si fcc phase

units		metal
boundary	p p p

atom_style	atomic
lattice		fcc 3.98
Lattice spacing in x,y,z = 3.98 3.98 3.98
region		box block 0 5 0 5 0 5
create_box		1 box
Created orthogonal box = (0 0 0) to (19.9 19.9 19.9)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 500 atoms

pair_style      meam/spline
pair_coeff      * * Si_1.meam.spline Si
Reading potential file Si_1.meam.spline with DATE: 2012-02-01
mass            * 28.085

velocity        all create 500.0 44226611

fix             1 all nvt temp 500.0 500.0 1.0

thermo          50
run             500
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 7 7 7
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 3.892 | 3.892 | 3.892 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          500    -1847.729            0   -1815.4786    1813162.7 
      50    1934.0932   -1940.8016            0    -1816.051   -48657.676 
     100    2570.1286   -1984.8725            0   -1819.0971    8002.4248 
     150    2566.7917   -1990.2724            0   -1824.7123    16819.447 
     200    2555.1319   -1995.2233            0   -1830.4152    5891.5313 
     250    2487.2881   -1995.8302            0   -1835.3981   -4339.7172 
     300    2381.4836   -1994.2492            0   -1840.6415     16508.04 
     350    2330.8663   -1996.6588            0   -1846.3161    24194.447 
     400    2212.6035   -1994.9278            0   -1852.2131   -9856.3709 
     450    2257.7531   -2003.8187            0   -1858.1918   -8029.6019 
     500    2211.4385   -2006.9846            0    -1864.345    4152.4867 
Loop time of 5.13837 on 1 procs for 500 steps with 500 atoms

Performance: 8.407 ns/day, 2.855 hours/ns, 97.307 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.0952     | 5.0952     | 5.0952     |   0.0 | 99.16
Neigh   | 0.026447   | 0.026447   | 0.026447   |   0.0 |  0.51
Comm    | 0.0063307  | 0.0063307  | 0.0063307  |   0.0 |  0.12
Output  | 0.0001905  | 0.0001905  | 0.0001905  |   0.0 |  0.00
Modify  | 0.0082877  | 0.0082877  | 0.0082877  |   0.0 |  0.16
Other   |            | 0.00187    |            |       |  0.04

Nlocal:    500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1767 ave 1767 max 1767 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    18059 ave 18059 max 18059 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  36118 ave 36118 max 36118 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 36118
Ave neighs/atom = 72.236
Neighbor list builds = 14
Dangerous builds = 0

Total wall time: 0:00:05
